CID 25203730

Deoxycohumulone

Structural Information

Molecular Formula
C20H28O4
SMILES
CC(C)C(=O)C1=C(C(=C(C(=C1O)CC=C(C)C)O)CC=C(C)C)O
InChI
InChI=1S/C20H28O4/c1-11(2)7-9-14-18(22)15(10-8-12(3)4)20(24)16(19(14)23)17(21)13(5)6/h7-8,13,22-24H,9-10H2,1-6H3
InChIKey
KKFIZYKKQLWBKH-UHFFFAOYSA-N
Compound name
2-methyl-1-[2,4,6-trihydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

38
Patents

332.19876 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.20604 179.8
[M+Na]+ 355.18798 185.6
[M-H]- 331.19148 179.5
[M+NH4]+ 350.23258 192.5
[M+K]+ 371.16192 181.5
[M+H-H2O]+ 315.19602 174.4
[M+HCOO]- 377.19696 193.6
[M+CH3COO]- 391.21261 211.3
[M+Na-2H]- 353.17343 172.8
[M]+ 332.19821 181.1
[M]- 332.19931 181.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.